4-[(6-chloro-1,7-naphthyridin-4-yl)oxy]aniline

C14H10ClN3O — CID 156871767

IUPAC4-[(6-chloro-1,7-naphthyridin-4-yl)oxy]aniline
SMILESNc1ccc(Oc2ccnc3cnc(Cl)cc23)cc1
InChIInChI=1S/C14H10ClN3O/c15-14-7-11-12(8-18-14)17-6-5-13(11)19-10-3-1-9(16)2-4-10/h1-8H,16H2
InChIKeyZIZKQTSGHKKOGG-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.66
Rot. Bonds2

About 4-[(6-chloro-1,7-naphthyridin-4-yl)oxy]aniline

4-[(6-chloro-1,7-naphthyridin-4-yl)oxy]aniline (PubChem CID 156871767) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 4-[(6-chloro-1,7-naphthyridin-4-yl)oxy]aniline.

Molecular Properties

Compound Name4-[(6-chloro-1,7-naphthyridin-4-yl)oxy]aniline
PubChem CID156871767
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name4-[(6-chloro-1,7-naphthyridin-4-yl)oxy]aniline
SMILESNc1ccc(Oc2ccnc3cnc(Cl)cc23)cc1
InChIInChI=1S/C14H10ClN3O/c15-14-7-11-12(8-18-14)17-6-5-13(11)19-10-3-1-9(16)2-4-10/h1-8H,16H2
InChIKeyZIZKQTSGHKKOGG-UHFFFAOYSA-N
XLogP3.66
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
4-N-(6-chloro-1,7-naphthyridin-4-yl)benzene-1,4-diamine
CID 156871700
4-(4-aminophenoxy)-3-chloropyridin-2-amine
CID 89410344
4-(4-aminophenoxy)-7-methylquinoline-6-carbonitrile
CID 89363462
2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane
CID 142885243
6-chloro-4-(2-fluoro-4-nitrophenoxy)-1,7-naphthyridine
CID 156871736
4-(6,8-dimethylquinolin-4-yl)oxyaniline
CID 54773300
3-chloro-4-(7-methoxyquinolin-4-yl)oxyaniline
CID 90017152
4-[7-methyl-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxyaniline
CID 157160693
4-(3,5-difluorophenoxy)quinolin-7-amine
CID 103002316
4-[7-(3,3,4,4-tetramethylcyclopentyl)quinolin-4-yl]oxyaniline
CID 167343301

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-1,7-naphthyridin-4-yl)oxy]aniline?
The IUPAC name of 4-[(6-chloro-1,7-naphthyridin-4-yl)oxy]aniline (CID 156871767) is 4-[(6-chloro-1,7-naphthyridin-4-yl)oxy]aniline.
What is the SMILES notation for 4-[(6-chloro-1,7-naphthyridin-4-yl)oxy]aniline?
The canonical SMILES for 4-[(6-chloro-1,7-naphthyridin-4-yl)oxy]aniline is Nc1ccc(Oc2ccnc3cnc(Cl)cc23)cc1.
What is the InChIKey of 4-[(6-chloro-1,7-naphthyridin-4-yl)oxy]aniline?
The InChIKey is ZIZKQTSGHKKOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-14-7-11-12(8-18-14)17-6-5-13(11)19-10-3-1-9(16)2-4-10/h1-8H,16H2.
What are the key properties of 4-[(6-chloro-1,7-naphthyridin-4-yl)oxy]aniline?
4-[(6-chloro-1,7-naphthyridin-4-yl)oxy]aniline has a molecular weight of 271.71 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-1,7-naphthyridin-4-yl)oxy]aniline is sourced from PubChem (CID 156871767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).